SCHEMBL8909513

SCHEMBL8909513

CCCOC(=O)N(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRM1 P11229 3/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
LMNA P02545 3/20 0.38
ESR1 P03372 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16965411 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1CHRM1CHRNB2
SCHEMBL8909377 0.86 ALDH1A1 (0.54) MEN1KMT2AHCAR2ALDH1A1LMNA
SCHEMBL16965707 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1CHRM1CHRNB2
SCHEMBL12233055 0.85 CA12 (0.52) ALDH1A1CHRM1CHRNB2CHRNA4CHRM2
SCHEMBL11300750 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRCA12
SCHEMBL3054488 0.83 HCAR2 (0.39) HCAR2ALDH1A1CHRM1CHRNB2CHRNA4
SCHEMBL14999308 0.83 KMT2A (0.43) MEN1KMT2AALDH1A1CHRM1CHRNB2
SCHEMBL6899761 0.83 CA12 (0.44) HCAR2ALDH1A1CHRM1CHRNB2CHRNA4
SCHEMBL25271914 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR
SCHEMBL14759112 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-3518334-A1 NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE, NON-AQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY, COMPRISING NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE LG Chem, Ltd. (KR) 2019-07-31 EP disclosed
EP-2445502-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2017-06-21 EP disclosed
EP-2568019-B1 Inkjet ink JNC CORP (JP) 2015-09-02 EP disclosed
US-9040625-B2 Water/oil repellent composition, method for its production and article ASAHI GLASS COMPANY, LIMITED (JP) 2015-05-26 US disclosed
EP-2703465-A1 WATER-REPELLING, OIL-REPELLING AGENT COMPOSITION, METHOD FOR PRODUCING SAME, AND ARTICLE Asahi Glass Company, Limited (JP) 2014-03-05 EP disclosed
EP-2703466-A1 WATER-REPELLENT AND OIL-REPELLENT AGENT COMPOUND, MANUFACTURING METHOD THEREFOR, AND ARTICLE Asahi Glass Company, Limited (JP) 2014-03-05 EP disclosed
US-20140051797-A1 WATER/OIL REPELLENT COMPOSITION, METHOD FOR ITS PRODUCTION AND ARTICLE ASAHI GLASS COMPANY, LIMITED (JP) 2014-02-20 US disclosed
US-20140045992-A1 WATER/OIL REPELLENT COMPOSITION, METHOD FOR ITS PRODUCTION AND ARTICLE ASAHI GLASS COMPANY, LIMITED (JP) 2014-02-13 US disclosed
EP-2568019-A1 Inkjet ink JNC Corporation (JP) 2013-03-13 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
EP-0575191-B1 Non-aqueous electrolyte solvent and battery containing this electrolyte MITSUI PETROCHEMICAL IND (JP) 1997-08-27 EP disclosed
US-5385794-A Lithium battery; carbamate and cyclic carbonate solvents MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1995-01-31 US disclosed
EP-0575191-A1 Non-aqueous electrolyte solvent and battery containing this electrolyte MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 MEN1 1924/4885KMT2A 872/4885HCAR2 586/4885
US-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 MEN1 612/4885KMT2A 1662/4885HCAR2 254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.